SCHEMBL21617379

SCHEMBL21617379

COc1ccc(CNc2cc(Cl)ncc2C#N)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.49
▸ PDE5A O76074 1/20 0.47
▸ VNN1 O95497 4/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ASPH Q12797 1/20 0.46
▸ RIOX2 Q8IUF8 1/20 0.46
▸ KDM8 Q8N371 1/20 0.46
▸ HTT P42858 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ TSHR P16473 1/20 0.44
▸ CYP19A1 P11511 1/20 0.43
▸ DYRK1A Q13627 1/20 0.43
▸ CLK4 Q9HAZ1 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CNR1 P21554 1/20 0.42
▸ CNR2 P34972 1/20 0.42
▸ ACP1 P24666 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16982690 0.83 KDM4E (0.56) KDM4EHTTMAPTLMNATSHR
SCHEMBL21600856 0.82 KDM4E (0.49) PDE5AKDM4EMAPTTSHRMEN1
SCHEMBL30380072 0.82 KDM4E (0.49) PDE5AKDM4EMAPTTSHRMEN1
SCHEMBL21722982 0.79 LMNA (0.51) VNN1KDM4EASPHRIOX2KDM8
SCHEMBL30581495 0.79 LMNA (0.51) VNN1KDM4EASPHRIOX2KDM8
SCHEMBL29079963 0.79 KDM4E (0.46) NPC1PDE5AVNN1KDM4EASPH
SCHEMBL21600939 0.78 CYP1A2 (0.48) KDM4EASPHKDM8MAPTLMNA
SCHEMBL30380185 0.78 MAPT (0.48) NPC1MAPTLMNAMEN1KMT2A
SCHEMBL21600877 0.78 MAPT (0.48) NPC1MAPTLMNAMEN1KMT2A
SCHEMBL30379700 0.78 CYP1A2 (0.48) KDM4EASPHKDM8MAPTLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11999732-B2 P2X3 receptor antagonists RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA SPA (IT) 2024-06-04 — — US disclosed
CN-112584898-B P2X 3 Receptor antagonists 瑞蔻达蒂化学和制药工业股份有限公司 2024-01-26 — — CN disclosed
US-20210246139-A1 P2X3 RECEPTOR ANTAGONISTS RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA SPA (IT) 2021-08-12 — — US disclosed
EP-3820566-A1 P2X3 RECEPTOR ANTAGONISTS Recordati Industria Chimica E Farmaceutica SPA (IT) 2021-05-19 — — EP disclosed
CN-112584898-A P2X3Receptor antagonists 瑞蔻达蒂化学和制药工业股份有限公司 2021-03-30 — — CN disclosed
WO-2020011921-A1 P2X3 RECEPTOR ANTAGONISTS RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA SPA (IT) 2020-01-16 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210246139-A1 P2X3 RECEPTOR ANTAGONISTS P2RX3, P2RX5, P2RX2 NPC1 3911/4885PDE5A 371/4885VNN1 1583/4885
US-11999732-B2 P2X3 receptor antagonists P2RX3, P2RX5, P2RX2 NPC1 3911/4885PDE5A 371/4885VNN1 1583/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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